SCHEMBL8716808

SCHEMBL8716808

CCN(CC)CCn1nc2c3c(c(NCCO)ccc31)Sc1ncccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.42
TOP2B Q02880 2/20 0.42
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
DNMT1 P26358 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UHRF1 Q96T88 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NQO2 P16083 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8721611 0.86 TOP2A (0.49) TOP2ATOP2BPDGFRA
SCHEMBL8719830 0.84 TOP2A (0.49) TOP2ATOP2BNQO2PDGFRA
SCHEMBL8719777 0.82 TOP2A (0.52) TOP2ATOP2B
SCHEMBL10811874 0.82 TOP2A (0.50) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8716881 0.80 TOP2A (0.40) TOP2A
SCHEMBL10815975 0.80 TOP2A (0.49) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8721606 0.80 TOP2A (0.35) TOP2ATOP2B
SCHEMBL10811401 0.79 TOP2A (0.50) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8482943 0.78 TOP2A (0.42) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL10816586 0.78 TOP2A (0.47) TOP2ATOP2BPOLBNPC1MITF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837861-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1998-04-29 EP disclosed
WO-1997002267-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY UNIVERSITY OF VERMONT (US) 1997-01-23 WO disclosed